For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Methyl 6-(dibenzylamino)-3,5-dihydroxy-7-phenylheptanoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methyl 6-(dibenzylamino)-3,5-dihydroxy-7-phenylheptanoate
SpectraBase Compound ID GCPoeSYDeBr
InChI InChI=1S/C28H33NO4/c1-33-28(32)19-25(30)18-27(31)26(17-22-11-5-2-6-12-22)29(20-23-13-7-3-8-14-23)21-24-15-9-4-10-16-24/h2-16,25-27,30-31H,17-21H2,1H3
InChIKey VNOHGASVQWRNAV-UHFFFAOYSA-N
Mol Weight 447.6 g/mol
Molecular Formula C28H33NO4
Exact Mass 447.240959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5wnMYgtYNEB
Name Methyl 6-(dibenzylamino)-3,5-dihydroxy-7-phenylheptanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.240958543 u
Formula C28H33NO4
InChI InChI=1S/C28H33NO4/c1-33-28(32)19-25(30)18-27(31)26(17-22-11-5-2-6-12-22)29(20-23-13-7-3-8-14-23)21-24-15-9-4-10-16-24/h2-16,25-27,30-31H,17-21H2,1H3
InChIKey VNOHGASVQWRNAV-UHFFFAOYSA-N
Molecular Weight 447.575 g/mol
SMILES C(CC(CC(C(CC=1C=CC=CC1)N(CC=1C=CC=CC1)CC=1C=CC=CC1)O)O)(=O)OC